N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
Chemical Structure Depiction of
N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
Compound characteristics
| Compound ID: | C791-0684 |
| Compound Name: | N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-(1,2,3,4-tetrahydronaphthalen-1-yl)urea |
| Molecular Weight: | 436.58 |
| Molecular Formula: | C24 H28 N4 O2 S |
| Smiles: | CC1CCC2=Nc3c(C(N2CC1)=O)c(C)c(NC(NC1CCCc2ccccc12)=O)s3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2161 |
| logD: | 4.216 |
| logSw: | -4.2703 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.867 |
| InChI Key: | JDEHKERKCMBAEA-UHFFFAOYSA-N |